CID 6433475
3-nitro-3-heptene
Structural Information
- Molecular Formula
- C7H13NO2
- SMILES
- CCC/C=C(/CC)\[N+](=O)[O-]
- InChI
- InChI=1S/C7H13NO2/c1-3-5-6-7(4-2)8(9)10/h6H,3-5H2,1-2H3/b7-6-
- InChIKey
- GWDKXPLSCZJVHP-SREVYHEPSA-N
- Compound name
- (Z)-3-nitrohept-3-ene
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 144.10192 | 130.8 |
[M+Na]+ | 166.08386 | 141.6 |
[M+NH4]+ | 161.12846 | 138.5 |
[M+K]+ | 182.05780 | 138.5 |
[M-H]- | 142.08736 | 131.4 |
[M+Na-2H]- | 164.06931 | 134.0 |
[M]+ | 143.09409 | 132.2 |
[M]- | 143.09519 | 132.2 |
Literature stripe
Patent stripe
No patent data available for this compound.